4-[(4-methylmorpholin-2-yl)methoxy]aniline

C12H18N2O2 — CID 79166940

IUPAC4-[(4-methylmorpholin-2-yl)methoxy]aniline
SMILESCN1CCOC(COc2ccc(N)cc2)C1
InChIInChI=1S/C12H18N2O2/c1-14-6-7-15-12(8-14)9-16-11-4-2-10(13)3-5-11/h2-5,12H,6-9,13H2,1H3
InChIKeyHQTVEDUBEZSZTQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.98
Rot. Bonds3

About 4-[(4-methylmorpholin-2-yl)methoxy]aniline

4-[(4-methylmorpholin-2-yl)methoxy]aniline (PubChem CID 79166940) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-[(4-methylmorpholin-2-yl)methoxy]aniline.

Molecular Properties

Compound Name4-[(4-methylmorpholin-2-yl)methoxy]aniline
PubChem CID79166940
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-[(4-methylmorpholin-2-yl)methoxy]aniline
SMILESCN1CCOC(COc2ccc(N)cc2)C1
InChIInChI=1S/C12H18N2O2/c1-14-6-7-15-12(8-14)9-16-11-4-2-10(13)3-5-11/h2-5,12H,6-9,13H2,1H3
InChIKeyHQTVEDUBEZSZTQ-UHFFFAOYSA-N
XLogP0.98
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(4-methylmorpholin-2-yl)methoxy]benzenecarbothioamide
CID 79171418
(1S)-1-[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-1-ol
CID 79172364
N-[1-[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethylidene]hydroxylamine
CID 79171845
N-[[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 79166000
2-[[4-(4-chlorobut-1-ynyl)phenoxy]methyl]-4-methylmorpholine
CID 79182986
2-[(3-chlorophenoxy)methyl]-4-methylmorpholine
CID 71048945
2-methyl-6-[(4-methylmorpholin-2-yl)methoxy]aniline
CID 79165775
[2-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]boronic acid
CID 79182948
1-[5-[(4-methylmorpholin-2-yl)methoxy]-1-benzofuran-2-yl]ethenol
CID 70318801
1-[2-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 107716380
3-[2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-yn-1-amine
CID 83134489
2-chloro-4-[(4-methylmorpholin-2-yl)methoxy]benzenecarbothioamide
CID 102724337

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylmorpholin-2-yl)methoxy]aniline?
The IUPAC name of 4-[(4-methylmorpholin-2-yl)methoxy]aniline (CID 79166940) is 4-[(4-methylmorpholin-2-yl)methoxy]aniline.
What is the SMILES notation for 4-[(4-methylmorpholin-2-yl)methoxy]aniline?
The canonical SMILES for 4-[(4-methylmorpholin-2-yl)methoxy]aniline is CN1CCOC(COc2ccc(N)cc2)C1.
What is the InChIKey of 4-[(4-methylmorpholin-2-yl)methoxy]aniline?
The InChIKey is HQTVEDUBEZSZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-14-6-7-15-12(8-14)9-16-11-4-2-10(13)3-5-11/h2-5,12H,6-9,13H2,1H3.
What are the key properties of 4-[(4-methylmorpholin-2-yl)methoxy]aniline?
4-[(4-methylmorpholin-2-yl)methoxy]aniline has a molecular weight of 222.29 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylmorpholin-2-yl)methoxy]aniline is sourced from PubChem (CID 79166940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).